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Home Amines 18595-14-7
18595-14-7,MFCD00102230
Catalog No.:AA00354G

18595-14-7 | Methyl 4-amino-3-methylbenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$7.00   $5.00
- +
10g
97%
in stock  
$9.00   $7.00
- +
25g
97%
in stock  
$19.00   $14.00
- +
100g
95%
in stock  
$42.00   $30.00
- +
500g
97%
in stock  
$144.00   $101.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00354G
Chemical Name:
Methyl 4-amino-3-methylbenzoate
CAS Number:
18595-14-7
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00102230
SMILES:
COC(=O)c1ccc(c(c1)C)N
Properties
Properties
 
BP:
314.8°C at 760 mmHg  
Form:
Solid  
MP:
116 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
170  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.1  

Upstream Synthesis Route

[1]Patent:EP1256574,2002,A1,

[1]BioorganicandMedicinalChemistry,2007,vol.15,#1,p.350-364

[2]ChemicalCommunications,2012,vol.48,#94,p.11558-11560

[3]Patent:US2012/277224,2012,A1,

[4]Patent:WO2013/97773,2013,A1,

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4416-4420

[1]JournalofMedicinalChemistry,2003,vol.46,#14,p.3033-3044

[1]SpectrochimicaActa-PartA:MolecularandBiomolecularSpectroscopy,2010,vol.75,#1,p.320-324

Downstream Synthesis Route

[1]Tetrahedron,2018,vol.74,p.6795-6803

[2]JournalofHeterocyclicChemistry,2003,vol.40,p.1107-1112

[3]BioorganicandMedicinalChemistry,2012,vol.20,p.4582-4589

[4]Patent:WO2014/66795,2014,A1.Locationinpatent:Paragraph0175

[5]ZeitschriftfurAnorganischeundAllgemeineChemie,2014,vol.640,p.159-167

[6]ChemicalCommunications,2012,vol.48,p.11558-11560

[7]Patent:US2012/277224,2012,A1.Locationinpatent:Page/Pagecolumn34

[8]AsianJournalofChemistry,2014,vol.26,p.1921-1930

[9]Patent:WO2013/97773,2013,A1.Locationinpatent:Paragraph0258

[10]ChemischeBerichte,1895,vol.28,p.597

[11]EuropeanJournalofMedicinalChemistry,1983,vol.18,p.307-314

[12]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.4416-4420

[13]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.81-84

[1]JournalofHeterocyclicChemistry,2003,vol.40,p.1107-1112

[2]JournalofMedicinalChemistry,1993,vol.36,p.4040-4051

[3]EuropeanJournalofMedicinalChemistry,2016,vol.115,p.161-178

[4]ACSMedicinalChemistryLetters,2019,vol.10,p.40-43

[1]AdvancedSynthesisandCatalysis,2010,vol.352,p.1451-1454

[2]Patent:US2012/277224,2012,A1.Locationinpatent:Page/Pagecolumn39

[3]BioorganicandMedicinalChemistry,2014,vol.22,p.6366-6379

[4]Patent:WO2014/66795,2014,A1.Locationinpatent:Paragraph0175

[5]JournalofOrganicChemistry,1996,vol.61,p.5804-5812

[6]Patent:EP1568688,2005,A1.Locationinpatent:Page/Pagecolumn30

[7]Patent:US2004/132779,2004,A1.Locationinpatent:Page/Pagecolumn17

[8]JournalofPhotochemistryandPhotobiologyA:Chemistry,2010,vol.213,p.164-170

[1]JournalofOrganicChemistry,1996,vol.61,p.5804-5812

[2]Patent:WO2016/199105,2016,A1.Locationinpatent:Paragraph000188

[3]Synthesis,2016,vol.48,p.855-864

[1]JournalofMedicinalChemistry,2001,vol.44,p.4416-4430

Literature

Title: Methyl 4-amino-3-methyl-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

Title: Methyl 4-(butyrylamino)-5-methyl-2-nitro-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20080401

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SDS
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